| SpectraBase Spectrum ID |
GSwbgb8PacJ |
| Name |
Diethylmalonic acid, pentadecyl pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.308150676 u |
| Formula |
C29H43F5O4 |
| InChI |
InChI=1S/C29H43F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-37-27(35)29(5-2,6-3)28(36)38-20-21-22(30)24(32)26(34)25(33)23(21)31/h4-20H2,1-3H3 |
| InChIKey |
KBNMCRTXSZFBNJ-UHFFFAOYSA-N |
| Molecular Weight |
550.651 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
